Compound Identification
SMILES
CCOC(=O)CC(NC(=O)C1=CC2=CC(Cl)=CC(Cl)=C2OC1=O)C1=CC=C(OC)C=C1
InChIKey
InChIKey=BCEPAPHWYHRFPP-UHFFFAOYSA-N
Formula
C22H19Cl2NO6
Mass
464.3
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Coumarins and derivatives
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Coumarins and derivatives
Alternative Parents
Beta amino acids and derivatives 1-benzopyrans Phenoxy compounds Anisoles Methoxybenzenes Pyranones and derivatives Alkyl aryl ethers Fatty acid esters Aryl chlorides Heteroaromatic compounds Secondary carboxylic acid amides Lactones Carboxylic acid esters Oxacyclic compounds Monocarboxylic acids and derivatives Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides Organonitrogen compounds Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - Beta amino acid or derivatives - 1-benzopyran - Benzopyran - Phenol ether - Phenoxy compound - Anisole - Methoxybenzene - Pyranone - Fatty acid ester - Alkyl aryl ether - Pyran - Fatty acyl - Benzenoid - Aryl chloride - Monocyclic benzene moiety - Aryl halide - Heteroaromatic compound - Carboxamide group - Carboxylic acid ester - Secondary carboxylic acid amide - Lactone - Ether - Carboxylic acid derivative - Organoheterocyclic compound - Oxacycle - Monocarboxylic acid or derivatives - Organopnictogen compound - Organooxygen compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organohalogen compound - Organochloride - Organonitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as coumarins and derivatives. These are polycyclic aromatic compounds containing a 1-benzopyran moiety with a ketone group at the C2 carbon atom (1-benzopyran-2-one).
External Descriptors
Not available